EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
2-isobutyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture)

Sponsors

Name:4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane
CAS Number: 101517-87-7Picture of molecule3D/inchi
FDA UNII:YOR3E7P831
MDL:MFCD10000649
XlogP3-AA:3.80 (est)
Molecular Weight:205.38743000
Formula:C9 H19 N S2
NMR Predictor:Predict (works with chrome or firefox)
Name:2,4-dimethyl-6-(2-methylpropyl)-1,3,5-dithiazinane
CAS Number: 101517-86-6Picture of molecule3D/inchi
FDA UNII:ES2CZM828N
Molecular Weight:205.38743000
Formula:C9 H19 N S2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
At least 64 % 2-isobutyl-4,6-dimethyl and 18 % 4-Isobutyl-2,6-dimethyl; sec. components at least 13 % 2,4,6-trimethyl-; 2,4-diisobutyl-6-methyl-; 2,6-dimethyl-4-butyldihydro-1,3,5-dithiazine; substituted 1,3,5-thiadiazine.(EFFA, 2011h). Mixture of diastereoisomers, each of them racemic (EFFA,2013b). At least 64 % 2-isobutyl-4,6-dimethyl and 18 % 4-Isobutyl-2,6-dimethyl; secondary components at least 13%: 2,4,6-trimethyl-; 2,4-diisobutyl-6-methyl-; 2,6-dimethyl-4-butyldihydro-1,3,5-dithiazine; substituted 1,3,5-thiadiazine (EFFA, 2011c).
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:1046 2-isobutyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture)
FLAVIS Number:15.079 (Old)
DG SANTE Food Flavourings:15.079 2-isobutyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture)
FEMA Number:3781
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2(4)-ISOBUTYL-4(2),6-DIMETHYLDIHYDRO-4H-1,3,5-DITHIAZINE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 82.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96100 to 0.96700 @ 25.00 °C.
Pounds per Gallon - (est).: 7.996 to 8.046
Refractive Index:1.48800 to 1.49200 @ 20.00 °C.
Boiling Point: 104.00 to 115.00 °C. @ 2.50 mm Hg
Boiling Point: 298.00 to 300.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 278.00 °F. TCC ( 136.67 °C. )
logP (o/w): 1.896 (est)
Soluble in:
 alcohol
 water, 1562 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: nutty
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
roasted cocoa peanut nutty
Odor Description:at 0.10 % in dipropylene glycol. roasted cocoa peanut
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Carbosynth
For experimental / research use only.
2(4)-isoButyl-4(2),6-dimethyldihydro-4H-1,3,5-dithiazine
Parchem
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
Penta International
2(4)-isoBUTYL-4(2)-6-DIMETHYLDIHYDRO(4H)-1,3,5-DITHIAZINE, Kosher
Tengzhou Xiang Yuan Aroma Chemicals
2.(4)Isobutyl-4(2).6-Dimethyl-1.3.5-Dithiazine
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): .10 (μg/capita/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 16
 average usual ppmaverage maximum ppm
baked goods: 0.500005.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.500005.00000
cheese: --
chewing gum: 1.0000020.00000
condiments / relishes: --
confectionery froastings: 0.500005.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.500005.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.500005.00000
milk products: 0.500001.00000
nut products: 0.500005.00000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.500005.00000
soft candy: 0.500005.00000
soups: 0.100002.00000
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 21, Revision 3 (FGE.21Rev3): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 21, Revision 4 (FGE.21Rev4): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 21, Revision 5 (FGE.21Rev5): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 9, Revision 6 (FGE.09Rev6): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :529056
National Institute of Allergy and Infectious Diseases:Data
4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane
Chemidplus:0101517877
2,4-dimethyl-6-(2-methylpropyl)-1,3,5-dithiazinane
Chemidplus:0101517866
 
References:
 4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):529056
Pubchem (sid):11076991
 2,4-dimethyl-6-(2-methylpropyl)-1,3,5-dithiazinane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):71587382
Pubchem (sid):163641164
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB40335
FooDB:FDB020060
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
sulfuryl octanoate
FL/FR
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
sulfuryl propionate
FL/FR
valeraldehyde dibutyl acetal
FL/FR
valeraldehyde propylene glycol acetal
FL/FR
balsamic
balsamic
2-
acetyl furan
FL/FR
amyl cinnamate
FL/FR
iso
amyl cinnamate
FL/FR
butyl cinnamate
FL/FR
propyl benzoate
FL/FR
buttery
acetyl propionyl
FL/FR
3,4-
hexane dione
FL/FR
camphoreous
bornyl isobutyrate
FL/FR
caramellic
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
fenugreek oleoresin
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
chocolate pyrazine A
FL/FR
cocoa hexenal
FL/FR
cocoa oleoresin
FL/FR
cocoa pentenal
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2,5-
dimethyl pyrazine
FL/FR
2-
methoxy-3-methyl pyrazine
FL/FR
2-
methoxypyrazine
FL/FR
2-
methyl butyraldehyde
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
cocoa
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
theobroma cacao extract
FL/FR
coconut
alpha-
angelica lactone
FL/FR
gamma-
heptalactone
FL/FR
coumarinic
coumane
FL/FR
earthy
2-
ethyl-3-methoxypyrazine
FL/FR
nutty pyrazine
FL/FR
ethereal
iso
propyl formate
FL/FR
fatty
coconut absolute
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
valeraldehyde
FL/FR
floral
para-
cresyl laurate
FL/FR
ethyl phenyl acetate
FL/FR
fruity
iso
amyl nonanoate
FL/FR
cherry oxyacetate
FL/FR
methyl valerate
FL/FR
3-
methyl-2-butenal
FL/FR
green
butyl 2-methyl butyrate
FL/FR
2-
heptyl furan
FL/FR
phenyl acetaldehyde
FL/FR
tiglaldehyde
FL/FR
herbal
gamma-
valerolactone
FL/FR
musty
2-
acetyl pyrrole
FL/FR
3-
acetyl-2,5-dimethyl furan
FL/FR
cocoa butenal
FL/FR
hazelnut pyrazine
FL/FR
menthofuran
FL/FR
naphthyl
ortho-
methyl anisole
FL/FR
para-
methyl anisole
FL/FR
nutty
3-
acetyl pyridine
FL/FR
2-
acetyl-3-ethyl pyrazine
FL/FR
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-5-methyl furan
FL/FR
3,6-
cocoa pyrazine
FL/FR
3,5-
cocoa pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
2-
ethyl pyrazine
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
filbert heptenone
FL/FR
filbert pyrazine
FL/FR
2,6-
lutidine
FL/FR
2-
methyl pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
2-
methyl-3-propyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
nutty quinoxaline
FL/FR
shoyu pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
vinyl sulfurol
FL/FR
vinyl sulfurol
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
2-
acetyl thiazole
FL/FR
roasted
fenugreek resinoid
FL/FR
trigonella foenum-graecum seed oil CO2 extract
FL/FR
sulfurous
furfuryl thioacetate
FL/FR
tonka
whiskey lactone
FL/FR
whiskey lactone
FL/FR
waxy
butyl laurate
FL/FR
phenethyl octanoate
FL/FR
woody
2-
methoxy-4-vinyl phenol
FL/FR
sandalwood oil
FL/FR
For Flavor
No flavor group found for these
acetyl acetaldehyde dimethyl acetal
FL
2-
acetyl-2-pyrroline
FL
bornyl isobutyrate
FL/FR
butyl 2-methyl butyrate
FL/FR
butyl cinnamate
FL/FR
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
butyramide
FL
chocolate pyrazine A
FL/FR
coumane
FL/FR
cyclohexyl methyl pyrazine
FL
2,5-
diethyl thiazole
FL
2,5-
diethyl-4-methyl thiazole
FL
6,7-
dihydro-2,3-dimethyl-5H-cyclopentapyrazine
FL
dimethyl dihydrocyclopentapyrazine
FL
2,5-
dimethyl thiazole
FL
4,5-
dimethyl-2-ethyl thiazole
FL
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl dimethyl pyrazine
FL
2-
ethyl-3-methoxypyrazine
FL/FR
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
3-(2-
furyl) acrolein
FL
(E,E)-2,4-
heptadien-1-ol
FL
2-
hexyl-5 or 6-keto-1,4-dioxane
FL
2-
methoxypyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
peanut dithiazine
FL
2-
propyl pyridine
FL
para-
salicylic acid
FL
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
valeraldehyde propylene glycol acetal
FL/FR
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
sulfuryl formate
FL
sulfuryl octanoate
FL/FR
sulfuryl propionate
FL/FR
valeraldehyde dibutyl acetal
FL/FR
alliaceous
alliaceous
2-
methyl thioacetaldehyde
FL
balsamic
amyl cinnamate
FL/FR
bitter
methyl ethoxypyrazine
FL
bready
2-
propionyl thiazole
FL
brown
fenugreek oleoresin
FL/FR
burnt
2-
methyl quinoxaline
FL
buttery
3,4-
hexane dione
FL/FR
camphoreous
ortho-
methyl anisole
FL/FR
caramellic
fenugreek resinoid
FL/FR
chocolate
cocoa oleoresin
FL/FR
cocoa propanal
FL
cocoa
cocoa distillates
FL
cocoa hexenal
FL/FR
theobroma cacao extract
FL/FR
coffee
difurfuryl ether
FL
2-
ethyl-4-methyl thiazole
FL/FR
2-iso
propyl pyrazine
FL
corn chip
2-
acetyl thiazole
FL/FR
2-
acetyl-2-thiazoline
FL
creamy
alpha-
angelica lactone
FL/FR
earthy
2-
methyl-3-propyl pyrazine
FL/FR
fatty
coconut absolute
FL/FR
2-
heptyl furan
FL/FR
(E,E)-2,4-
nonadienal
FL
fishy
4,5-
dimethyl thiazole
FL
floral
iso
amyl cinnamate
FL/FR
iso
amyl phenyl acetate
FL/FR
cocoa pentenal
FL/FR
fruity
cherry oxyacetate
FL/FR
2,4-
hexadien-1-ol
FL
methyl valerate
FL/FR
3-
methyl-2-butenal
FL/FR
phenethyl octanoate
FL/FR
propyl benzoate
FL/FR
iso
propyl formate
FL/FR
tiglaldehyde
FL/FR
fusel
2-
methyl butyraldehyde
FL/FR
green
cocoa butenal
FL/FR
2,5-
dimethyl thiophene
FL
2-
ethyl butyraldehyde
FL
4-
methyl thiazole
FL
2-
methyl-5-isopropyl pyrazine
FL
2-
vinyl pyrazine
FL
2-
vinyl pyrazine
FL
honey
ethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
lactonic
gamma-
heptalactone
FL/FR
musty
2,5-
dimethyl pyrazine
FL/FR
hazelnut pyrazine
FL/FR
menthofuran
FL/FR
shoyu pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
naphthyl
para-
methyl anisole
FL/FR
nutty
2-
acetyl furan
FL/FR
3-
acetyl pyridine
FL/FR
2-
acetyl pyrrole
FL/FR
3-
acetyl-2,5-dimethyl furan
FL/FR
2-
acetyl-3-ethyl pyrazine
FL/FR
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-5-methyl furan
FL/FR
3,5-
cocoa pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
2,6-
dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
2,4-
dimethyl-5-vinyl thiazole
FL
2-
ethyl pyrazine
FL/FR
1-
ethyl-2-acetyl pyrrole
FL
filbert heptenone
FL/FR
filbert pyrazine
FL/FR
european
hazelnut oleoresin
FL
2,6-
lutidine
FL/FR
2-
methoxy-3-methyl pyrazine
FL/FR
2-
methyl pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
nutty pyrazine
FL/FR
nutty quinoxaline
FL/FR
nutty thiazole
FL
peanut oxazole
FL
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
vinyl sulfurol
FL/FR
vinyl sulfurol
FL/FR
popcorn
2-
propionyl-2-thiazoline
FL
roasted
2-
acetyl pyrazine
FL/FR
furfuryl thioacetate
FL/FR
trigonella foenum-graecum seed oil CO2 extract
FL/FR
smoky
2-
methoxy-4-vinyl phenol
FL/FR
toasted
acetyl propionyl
FL/FR
tonka
gamma-
valerolactone
FL/FR
waxy
butyl laurate
FL/FR
para-
cresyl laurate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
iso
amyl nonanoate
FL/FR
5-
ethyl-2-methyl pyridine
FL
valeraldehyde
FL/FR
woody
sandalwood oil
FL/FR
whiskey lactone
FL/FR
whiskey lactone
FL/FR
 
Potential Uses:
FLchocolate
FLpeanut
 
Occurrence (nature, food, other):note
 squid dried squid
Search Picture
 
Synonyms:
2-isobutyl-4,6-dimethyl-1,3,5-dithiazinane
2-isobutyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture)
2-isobutyl-4,6-dimethyldihydro-4h-1,3,5-dithiazine
2(4)-isobutyl-4(2)-6-dimethyldihydro(4H)-1,3,5-dithiazine
2(4)-isobutyl-4(2),6-dimethyldihydro-4H-1,3,5-dithiazine
 dihydro-2-isobutyl-4,6-dimethyl-4H-1,3,5-dithiazine + dihydro-6-isobutyl-2,4-dimethyl-4H-1,3,5-dithiazine
4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane
 dimethylisobutyldihydro-1,3,5-dithiazine
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS] Isol. from dried squid aroma Isol. from dried squid aroma
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy